SCHEMBL12427646

SCHEMBL12427646

CCN1CCC(CCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.46
MMP12 P39900 1/20 0.46
SCN9A Q15858 1/20 0.37
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 2/20 0.36
NR1I2 O75469 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ACHE P22303 8/20 0.36
CCKBR P32239 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
PTGER4 P35408 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12427750 0.94 PRKCA (0.46) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL10283572 0.92 PRKCA (0.48) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL10283265 0.91 PRKCA (0.47) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL12427814 0.91 PRKCA (0.46) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL804194 0.91 PRKCA (0.48) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL10283735 0.91 PRKCA (0.42) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL803973 0.90 PRKCA (0.48) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL12427946 0.90 PRKCA (0.42) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL12427690 0.90 PRKCA (0.46) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL12427620 0.89 PRKCA (0.47) PRKCAMMP12SCN9ACYP3A4CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed